SCHEMBL5489205

SCHEMBL5489205

COCCC(=O)NNC(C)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
ALDH1A1 P00352 4/20 0.37
LMNA P02545 4/20 0.37
GLS O94925 2/20 0.37
KDM4E B2RXH2 3/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 2/20 0.33
KDM5C P41229 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
PHF8 Q9UPP1 1/20 0.32
KDM2A Q9Y2K7 1/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7053704 0.79 TSHR (0.42) TSHRALDH1A1LMNAGLSKDM4E
SCHEMBL13056340 0.79
SCHEMBL17080190 0.77 CHRM2 (0.41) TSHRLMNAKDM4EKMT2AMAPT
SCHEMBL13542427 0.76 TSHR (0.50) TSHRALDH1A1LMNAKDM4EKMT2A
SCHEMBL13056338 0.76 TSHR (0.39) TSHRALDH1A1LMNAGLSKDM4E
SCHEMBL12155314 0.75 KMT2A (0.53) ALDH1A1LMNAKDM4EKMT2AMAPT
SCHEMBL13876758 0.73
SCHEMBL364116 0.73
SCHEMBL8423451 0.73 HDAC3 (0.52) TSHRALDH1A1KDM4EKMT2AMAPT
SCHEMBL12584010 0.73 NAAA (0.39) ALDH1A1LMNAKDM4EKMT2AMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7186859-B2 Uses for amino acid anticonvulsants RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 2007-03-06 US claimed